ethyl 4-[5-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]sulfanylpentanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]sulfanylpentanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]sulfanylpentanoyl]piperazine-1-carboxylate CAS Name: 4-[5-[[1-ethyl-4,5-bis(4-methoxyphenyl)-2-imidazolyl]thio]-1-oxopentyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]sulfanylpentanoyl]piperazine-1-carboxylate Traditional Name: 4-[5-[[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]thio]pentanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C31H40N4O5S MolecularWeight: 580.7381

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1SCCCCC(=O)N2CCN(CC2)C(=O)OCC)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC

Isomeric SMILES

CCN1C(=C(N=C1SCCCCC(=O)N2CCN(CC2)C(=O)OCC)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC

InChI

InChI=1S/C31H40N4O5S/c1-5-35-29(24-12-16-26(39-4)17-13-24)28(23-10-14-25(38-3)15-11-23)32-30(35)41-22-8-7-9-27(36)33-18-20-34(21-19-33)31(37)40-6-2/h10-17H,5-9,18-22H2,1-4H3